N-(3-ethylphenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide

• ChemBase ID: 568137
• Molecular Formular: C17H25N3O
• Molecular Mass: 287.3999
• Monoisotopic Mass: 287.19976244
• SMILES: C(=O)(N1CC2(CNCC2)CCC1)Nc1cc(ccc1)CC
• Canonical SMILES: CCc1cccc(c1)NC(=O)N1CCCC2(C1)CNCC2
• InChI: InChI=1S/C17H25N3O/c1-2-14-5-3-6-15(11-14)19-16(21)20-10-4-7-17(13-20)8-9-18-12-17/h3,5-6,11,18H,2,4,7-10,12-13H2,1H3,(H,19,21)
• InChIKey: IOOXOIXYXWOZAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-ethylphenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide
• IUPAC Traditional name: N-(3-ethylphenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide
• Synonyms: N-(3-ethylphenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.418573
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.7923024
• LogD (pH = 7.4): -0.6455693
• Log P: 2.447487
• Molar Refractivity: 86.5202 cm^3
• Polarizability: 32.91031 Å^3
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.26
• LOG S: -3.23
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 2